2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Chemical Structure Depiction of
2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(4-chlorophenyl)acetamide
Compound characteristics
| Compound ID: | F798-0429 |
| Compound Name: | 2-[(4-benzyl-5-oxo-4,5-dihydrothieno[2,3-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl)sulfanyl]-N-(4-chlorophenyl)acetamide |
| Molecular Weight: | 481.98 |
| Molecular Formula: | C22 H16 Cl N5 O2 S2 |
| Smiles: | C(c1ccccc1)N1C(c2c(ccs2)n2c1nnc2SCC(Nc1ccc(cc1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7023 |
| logD: | 4.7022 |
| logSw: | -4.983 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.48 |
| InChI Key: | YGSBPYXZCFUMMY-UHFFFAOYSA-N |